(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol

C19H19FN4O3 — CID 172503497

About (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol

(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol (PubChem CID 172503497) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
• PubChem CID: 172503497
• Molecular Formula: C19H19FN4O3
• Molecular Weight: 370.38 g/mol
• Exact Mass: 370.14
• IUPAC Name: (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
• SMILES: Cc1nc(Oc2ccc3[nH]c(C)cc3c2F)c2cc(OC[C@@H](C)O)cn2n1
• InChI: InChI=1S/C19H19FN4O3/c1-10-6-14-15(21-10)4-5-17(18(14)20)27-19-16-7-13(26-9-11(2)25)8-24(16)23-12(3)22-19/h4-8,11,21,25H,9H2,1-3H3/t11-/m1/s1
• InChIKey: USDJMNXNEMRFPX-LLVKDONJSA-N
• XLogP: 3.52
• TPSA: 84.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.38
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?

The IUPAC name of (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol (CID 172503497) is (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol.

What is the SMILES notation for (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?

The canonical SMILES for (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol is Cc1nc(Oc2ccc3[nH]c(C)cc3c2F)c2cc(OC[C@@H](C)O)cn2n1.

What is the InChIKey of (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?

The InChIKey is USDJMNXNEMRFPX-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-10-6-14-15(21-10)4-5-17(18(14)20)27-19-16-7-13(26-9-11(2)25)8-24(16)23-12(3)22-19/h4-8,11,21,25H,9H2,1-3H3/t11-/m1/s1.

What are the key properties of (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?

(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol has a molecular weight of 370.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol is sourced from PubChem (CID 172503497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).